10967/196 - QDB Compounds

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Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:677
Name:Cyclohexane, 1,1'-thiobis-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H22S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
392.85

experimental value

388.4

Eq.1: Model for diverse and pure compounds (Training set)

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